USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 440 HIS HE2 : A 440 HIS NE2 : A 447 ZNZN :(H bumps) USER MOD NoAdj-H: A 444 HIS HE2 : A 444 HIS NE2 : A 447 ZNZN :(H bumps) USER MOD Set 1.1: A 408 HIS : no HD1:sc= -4.15! C(o=-4.7!,f=-4.7!) USER MOD Set 1.2: A 412 GLN : amide:sc= -0.512 X(o=-4.7,f=-4.8) USER MOD Single : A 390 SER OG : rot 39:sc= 0.0279 USER MOD Single : A 393 SER OG : rot -50:sc= 0.173 USER MOD Single : A 395 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0426) USER MOD Single : A 396 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0671) USER MOD Single : A 397 CYS SG : rot 28:sc= 0.00668 USER MOD Single : A 400 CYS SG : rot 180:sc= -0.935 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 CYS SG : rot 180:sc= 0.0244 USER MOD Single : A 409 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 413 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 414 GLN :FLIP amide:sc= -1.29 F(o=-2.9!,f=-1.3) USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 416 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.039) USER MOD Single : A 419 CYS SG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 15.921 28.500 -2.608 1.00 0.00 N ATOM 2 CA SER A 390 15.828 27.528 -3.729 1.00 0.00 C ATOM 3 C SER A 390 14.497 27.664 -4.466 1.00 0.00 C ATOM 4 O SER A 390 13.464 27.927 -3.851 1.00 0.00 O ATOM 5 CB SER A 390 15.978 26.115 -3.163 1.00 0.00 C ATOM 6 OG SER A 390 17.274 25.916 -2.624 1.00 0.00 O ATOM 0 HA SER A 390 16.623 27.730 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 390 15.229 25.949 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 390 15.791 25.383 -3.949 1.00 0.00 H new ATOM 0 HG SER A 390 17.567 26.732 -2.168 1.00 0.00 H new ATOM 14 N PRO A 391 14.504 27.485 -5.799 1.00 0.00 N ATOM 15 CA PRO A 391 13.291 27.589 -6.615 1.00 0.00 C ATOM 16 C PRO A 391 12.377 26.378 -6.456 1.00 0.00 C ATOM 17 O PRO A 391 11.160 26.481 -6.608 1.00 0.00 O ATOM 18 CB PRO A 391 13.834 27.665 -8.041 1.00 0.00 C ATOM 19 CG PRO A 391 15.126 26.925 -7.988 1.00 0.00 C ATOM 20 CD PRO A 391 15.693 27.168 -6.616 1.00 0.00 C ATOM 0 HA PRO A 391 12.678 28.444 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 391 13.145 27.210 -8.753 1.00 0.00 H new ATOM 0 HB3 PRO A 391 13.981 28.698 -8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 391 14.972 25.860 -8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 391 15.809 27.279 -8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 391 16.217 26.290 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 391 16.409 27.990 -6.618 1.00 0.00 H new ATOM 28 N LEU A 392 12.974 25.232 -6.148 1.00 0.00 N ATOM 29 CA LEU A 392 12.215 23.998 -5.969 1.00 0.00 C ATOM 30 C LEU A 392 11.597 23.937 -4.576 1.00 0.00 C ATOM 31 O LEU A 392 12.021 24.648 -3.665 1.00 0.00 O ATOM 32 CB LEU A 392 13.117 22.783 -6.194 1.00 0.00 C ATOM 33 CG LEU A 392 13.723 22.677 -7.594 1.00 0.00 C ATOM 34 CD1 LEU A 392 15.107 22.048 -7.530 1.00 0.00 C ATOM 35 CD2 LEU A 392 12.812 21.872 -8.508 1.00 0.00 C ATOM 0 H LEU A 392 13.980 25.131 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 392 11.410 23.985 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 392 13.927 22.811 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 392 12.540 21.880 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 392 13.822 23.682 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 392 15.523 21.981 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 392 15.758 22.663 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 392 15.033 21.049 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 392 13.258 21.806 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 392 12.683 20.869 -8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 392 11.841 22.363 -8.578 1.00 0.00 H new ATOM 47 N SER A 393 10.592 23.081 -4.418 1.00 0.00 N ATOM 48 CA SER A 393 9.916 22.925 -3.134 1.00 0.00 C ATOM 49 C SER A 393 9.415 21.496 -2.948 1.00 0.00 C ATOM 50 O SER A 393 8.487 21.250 -2.176 1.00 0.00 O ATOM 51 CB SER A 393 8.745 23.904 -3.031 1.00 0.00 C ATOM 52 OG SER A 393 8.344 24.079 -1.683 1.00 0.00 O ATOM 0 H SER A 393 10.228 22.485 -5.162 1.00 0.00 H new ATOM 0 HA SER A 393 10.636 23.142 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.032 24.866 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 393 7.905 23.534 -3.619 1.00 0.00 H new ATOM 0 HG SER A 393 8.216 23.203 -1.263 1.00 0.00 H new ATOM 58 N ILE A 394 10.034 20.554 -3.657 1.00 0.00 N ATOM 59 CA ILE A 394 9.649 19.149 -3.565 1.00 0.00 C ATOM 60 C ILE A 394 8.156 18.965 -3.822 1.00 0.00 C ATOM 61 O ILE A 394 7.335 19.152 -2.924 1.00 0.00 O ATOM 62 CB ILE A 394 9.996 18.560 -2.184 1.00 0.00 C ATOM 63 CG1 ILE A 394 11.433 18.916 -1.798 1.00 0.00 C ATOM 64 CG2 ILE A 394 9.800 17.052 -2.187 1.00 0.00 C ATOM 65 CD1 ILE A 394 12.462 18.445 -2.802 1.00 0.00 C ATOM 0 H ILE A 394 10.803 20.739 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 394 10.214 18.619 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 394 9.324 18.992 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 394 11.514 19.997 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 394 11.659 18.478 -0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 394 10.049 16.651 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 394 8.761 16.821 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 394 10.449 16.602 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 394 13.458 18.732 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 394 12.409 17.360 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 394 12.262 18.903 -3.771 1.00 0.00 H new ATOM 77 N LYS A 395 7.812 18.597 -5.052 1.00 0.00 N ATOM 78 CA LYS A 395 6.417 18.387 -5.424 1.00 0.00 C ATOM 79 C LYS A 395 6.311 17.794 -6.826 1.00 0.00 C ATOM 80 O LYS A 395 5.566 18.293 -7.669 1.00 0.00 O ATOM 81 CB LYS A 395 5.645 19.707 -5.352 1.00 0.00 C ATOM 82 CG LYS A 395 4.246 19.562 -4.777 1.00 0.00 C ATOM 83 CD LYS A 395 3.613 20.915 -4.501 1.00 0.00 C ATOM 84 CE LYS A 395 4.139 21.524 -3.212 1.00 0.00 C ATOM 85 NZ LYS A 395 3.558 20.865 -2.009 1.00 0.00 N ATOM 0 H LYS A 395 8.479 18.438 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 395 5.980 17.681 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 395 6.208 20.415 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 395 5.575 20.133 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 395 3.622 19.003 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 395 4.289 18.985 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 395 3.817 21.589 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 395 2.530 20.805 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 395 5.225 21.436 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 395 3.905 22.588 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 3.806 21.412 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 2.523 20.821 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 3.939 19.901 -1.923 1.00 0.00 H new ATOM 99 N LYS A 396 7.060 16.722 -7.067 1.00 0.00 N ATOM 100 CA LYS A 396 7.049 16.057 -8.365 1.00 0.00 C ATOM 101 C LYS A 396 6.336 14.712 -8.281 1.00 0.00 C ATOM 102 O LYS A 396 6.569 13.932 -7.359 1.00 0.00 O ATOM 103 CB LYS A 396 8.479 15.857 -8.871 1.00 0.00 C ATOM 104 CG LYS A 396 9.365 15.089 -7.903 1.00 0.00 C ATOM 105 CD LYS A 396 10.306 16.015 -7.149 1.00 0.00 C ATOM 106 CE LYS A 396 11.522 15.267 -6.627 1.00 0.00 C ATOM 107 NZ LYS A 396 12.113 15.933 -5.434 1.00 0.00 N ATOM 0 H LYS A 396 7.682 16.296 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 396 6.508 16.692 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 396 8.448 15.325 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 396 8.927 16.832 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 396 8.742 14.545 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 396 9.946 14.347 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 396 10.628 16.822 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 396 9.775 16.475 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 396 11.238 14.247 -6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 396 12.273 15.200 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 13.073 15.566 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 12.157 16.959 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 11.523 15.739 -4.600 1.00 0.00 H new ATOM 121 N CYS A 397 5.464 14.447 -9.249 1.00 0.00 N ATOM 122 CA CYS A 397 4.717 13.195 -9.282 1.00 0.00 C ATOM 123 C CYS A 397 5.030 12.405 -10.548 1.00 0.00 C ATOM 124 O CYS A 397 5.208 12.982 -11.620 1.00 0.00 O ATOM 125 CB CYS A 397 3.215 13.469 -9.195 1.00 0.00 C ATOM 126 SG CYS A 397 2.582 14.537 -10.510 1.00 0.00 S ATOM 0 H CYS A 397 5.258 15.082 -10.020 1.00 0.00 H new ATOM 0 HA CYS A 397 5.020 12.599 -8.421 1.00 0.00 H new ATOM 0 HB2 CYS A 397 2.681 12.519 -9.224 1.00 0.00 H new ATOM 0 HB3 CYS A 397 2.996 13.928 -8.231 1.00 0.00 H new ATOM 0 HG CYS A 397 3.320 14.402 -11.571 1.00 0.00 H new ATOM 132 N PRO A 398 5.103 11.066 -10.440 1.00 0.00 N ATOM 133 CA PRO A 398 5.400 10.205 -11.585 1.00 0.00 C ATOM 134 C PRO A 398 4.464 10.465 -12.758 1.00 0.00 C ATOM 135 O PRO A 398 3.248 10.559 -12.590 1.00 0.00 O ATOM 136 CB PRO A 398 5.188 8.791 -11.037 1.00 0.00 C ATOM 137 CG PRO A 398 5.392 8.918 -9.568 1.00 0.00 C ATOM 138 CD PRO A 398 4.907 10.293 -9.200 1.00 0.00 C ATOM 0 HA PRO A 398 6.404 10.377 -11.974 1.00 0.00 H new ATOM 0 HB2 PRO A 398 4.188 8.423 -11.267 1.00 0.00 H new ATOM 0 HB3 PRO A 398 5.895 8.087 -11.475 1.00 0.00 H new ATOM 0 HG2 PRO A 398 4.836 8.151 -9.029 1.00 0.00 H new ATOM 0 HG3 PRO A 398 6.443 8.792 -9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 398 3.861 10.282 -8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 398 5.477 10.712 -8.371 1.00 0.00 H new ATOM 146 N ILE A 399 5.043 10.578 -13.946 1.00 0.00 N ATOM 147 CA ILE A 399 4.268 10.826 -15.156 1.00 0.00 C ATOM 148 C ILE A 399 3.548 12.168 -15.083 1.00 0.00 C ATOM 149 O ILE A 399 2.441 12.263 -14.552 1.00 0.00 O ATOM 150 CB ILE A 399 3.230 9.712 -15.398 1.00 0.00 C ATOM 151 CG1 ILE A 399 3.889 8.334 -15.294 1.00 0.00 C ATOM 152 CG2 ILE A 399 2.570 9.889 -16.757 1.00 0.00 C ATOM 153 CD1 ILE A 399 3.131 7.366 -14.412 1.00 0.00 C ATOM 0 H ILE A 399 6.049 10.502 -14.098 1.00 0.00 H new ATOM 0 HA ILE A 399 4.975 10.840 -15.986 1.00 0.00 H new ATOM 0 HB ILE A 399 2.460 9.782 -14.630 1.00 0.00 H new ATOM 0 HG12 ILE A 399 3.980 7.908 -16.293 1.00 0.00 H new ATOM 0 HG13 ILE A 399 4.900 8.452 -14.904 1.00 0.00 H new ATOM 0 HG21 ILE A 399 1.840 9.095 -16.913 1.00 0.00 H new ATOM 0 HG22 ILE A 399 2.068 10.856 -16.795 1.00 0.00 H new ATOM 0 HG23 ILE A 399 3.328 9.843 -17.539 1.00 0.00 H new ATOM 0 HD11 ILE A 399 3.656 6.411 -14.385 1.00 0.00 H new ATOM 0 HD12 ILE A 399 3.062 7.771 -13.402 1.00 0.00 H new ATOM 0 HD13 ILE A 399 2.128 7.218 -14.812 1.00 0.00 H new ATOM 165 N CYS A 400 4.182 13.204 -15.620 1.00 0.00 N ATOM 166 CA CYS A 400 3.601 14.542 -15.616 1.00 0.00 C ATOM 167 C CYS A 400 2.797 14.789 -16.889 1.00 0.00 C ATOM 168 O CYS A 400 3.285 15.410 -17.833 1.00 0.00 O ATOM 169 CB CYS A 400 4.700 15.599 -15.478 1.00 0.00 C ATOM 170 SG CYS A 400 4.238 17.012 -14.450 1.00 0.00 S ATOM 0 H CYS A 400 5.098 13.144 -16.064 1.00 0.00 H new ATOM 0 HA CYS A 400 2.928 14.616 -14.762 1.00 0.00 H new ATOM 0 HB2 CYS A 400 5.589 15.131 -15.055 1.00 0.00 H new ATOM 0 HB3 CYS A 400 4.971 15.958 -16.471 1.00 0.00 H new ATOM 0 HG CYS A 400 5.231 17.849 -14.391 1.00 0.00 H new ATOM 176 N LYS A 401 1.562 14.296 -16.906 1.00 0.00 N ATOM 177 CA LYS A 401 0.689 14.462 -18.062 1.00 0.00 C ATOM 178 C LYS A 401 0.305 15.926 -18.251 1.00 0.00 C ATOM 179 O LYS A 401 0.099 16.385 -19.375 1.00 0.00 O ATOM 180 CB LYS A 401 -0.571 13.609 -17.901 1.00 0.00 C ATOM 181 CG LYS A 401 -1.302 13.846 -16.589 1.00 0.00 C ATOM 182 CD LYS A 401 -0.974 12.773 -15.562 1.00 0.00 C ATOM 183 CE LYS A 401 -2.174 11.883 -15.281 1.00 0.00 C ATOM 184 NZ LYS A 401 -1.849 10.801 -14.311 1.00 0.00 N ATOM 0 H LYS A 401 1.144 13.779 -16.133 1.00 0.00 H new ATOM 0 HA LYS A 401 1.234 14.132 -18.947 1.00 0.00 H new ATOM 0 HB2 LYS A 401 -1.249 13.818 -18.728 1.00 0.00 H new ATOM 0 HB3 LYS A 401 -0.298 12.556 -17.970 1.00 0.00 H new ATOM 0 HG2 LYS A 401 -1.031 14.824 -16.193 1.00 0.00 H new ATOM 0 HG3 LYS A 401 -2.377 13.862 -16.769 1.00 0.00 H new ATOM 0 HD2 LYS A 401 -0.145 12.164 -15.923 1.00 0.00 H new ATOM 0 HD3 LYS A 401 -0.644 13.244 -14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 401 -2.991 12.489 -14.889 1.00 0.00 H new ATOM 0 HE3 LYS A 401 -2.524 11.441 -16.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -2.694 10.217 -14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -1.087 10.207 -14.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -1.539 11.222 -13.412 1.00 0.00 H new ATOM 198 N ALA A 402 0.211 16.655 -17.145 1.00 0.00 N ATOM 199 CA ALA A 402 -0.149 18.068 -17.187 1.00 0.00 C ATOM 200 C ALA A 402 0.927 18.888 -17.890 1.00 0.00 C ATOM 201 O ALA A 402 0.634 19.906 -18.518 1.00 0.00 O ATOM 202 CB ALA A 402 -0.381 18.596 -15.780 1.00 0.00 C ATOM 0 H ALA A 402 0.379 16.291 -16.207 1.00 0.00 H new ATOM 0 HA ALA A 402 -1.073 18.165 -17.757 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -0.649 19.652 -15.827 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -1.190 18.037 -15.310 1.00 0.00 H new ATOM 0 HB3 ALA A 402 0.530 18.479 -15.193 1.00 0.00 H new ATOM 208 N ASP A 403 2.173 18.440 -17.781 1.00 0.00 N ATOM 209 CA ASP A 403 3.293 19.133 -18.407 1.00 0.00 C ATOM 210 C ASP A 403 3.670 18.482 -19.735 1.00 0.00 C ATOM 211 O ASP A 403 4.269 19.119 -20.601 1.00 0.00 O ATOM 212 CB ASP A 403 4.500 19.144 -17.466 1.00 0.00 C ATOM 213 CG ASP A 403 5.022 20.545 -17.210 1.00 0.00 C ATOM 214 OD1 ASP A 403 4.881 21.404 -18.105 1.00 0.00 O ATOM 215 OD2 ASP A 403 5.571 20.783 -16.114 1.00 0.00 O ATOM 0 H ASP A 403 2.433 17.600 -17.265 1.00 0.00 H new ATOM 0 HA ASP A 403 2.986 20.160 -18.607 1.00 0.00 H new ATOM 0 HB2 ASP A 403 4.222 18.684 -16.518 1.00 0.00 H new ATOM 0 HB3 ASP A 403 5.296 18.535 -17.894 1.00 0.00 H new ATOM 220 N ASP A 404 3.318 17.209 -19.891 1.00 0.00 N ATOM 221 CA ASP A 404 3.622 16.475 -21.114 1.00 0.00 C ATOM 222 C ASP A 404 2.440 16.507 -22.076 1.00 0.00 C ATOM 223 O ASP A 404 1.290 16.334 -21.669 1.00 0.00 O ATOM 224 CB ASP A 404 3.991 15.027 -20.787 1.00 0.00 C ATOM 225 CG ASP A 404 5.454 14.872 -20.420 1.00 0.00 C ATOM 226 OD1 ASP A 404 6.080 15.883 -20.038 1.00 0.00 O ATOM 227 OD2 ASP A 404 5.973 13.740 -20.513 1.00 0.00 O ATOM 0 H ASP A 404 2.822 16.665 -19.185 1.00 0.00 H new ATOM 0 HA ASP A 404 4.472 16.958 -21.596 1.00 0.00 H new ATOM 0 HB2 ASP A 404 3.373 14.675 -19.961 1.00 0.00 H new ATOM 0 HB3 ASP A 404 3.766 14.395 -21.646 1.00 0.00 H new ATOM 232 N ILE A 405 2.728 16.729 -23.355 1.00 0.00 N ATOM 233 CA ILE A 405 1.688 16.783 -24.374 1.00 0.00 C ATOM 234 C ILE A 405 1.752 15.566 -25.292 1.00 0.00 C ATOM 235 O ILE A 405 0.730 15.108 -25.803 1.00 0.00 O ATOM 236 CB ILE A 405 1.805 18.060 -25.229 1.00 0.00 C ATOM 237 CG1 ILE A 405 1.945 19.290 -24.331 1.00 0.00 C ATOM 238 CG2 ILE A 405 0.597 18.199 -26.143 1.00 0.00 C ATOM 239 CD1 ILE A 405 2.113 20.583 -25.099 1.00 0.00 C ATOM 0 H ILE A 405 3.673 16.874 -23.709 1.00 0.00 H new ATOM 0 HA ILE A 405 0.733 16.790 -23.849 1.00 0.00 H new ATOM 0 HB ILE A 405 2.698 17.983 -25.850 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.064 19.367 -23.694 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.803 19.154 -23.673 1.00 0.00 H new ATOM 0 HG21 ILE A 405 0.695 19.106 -26.740 1.00 0.00 H new ATOM 0 HG22 ILE A 405 0.539 17.334 -26.804 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -0.310 18.257 -25.541 1.00 0.00 H new ATOM 0 HD11 ILE A 405 2.206 21.413 -24.398 1.00 0.00 H new ATOM 0 HD12 ILE A 405 3.010 20.526 -25.716 1.00 0.00 H new ATOM 0 HD13 ILE A 405 1.244 20.743 -25.737 1.00 0.00 H new ATOM 251 N CYS A 406 2.958 15.047 -25.495 1.00 0.00 N ATOM 252 CA CYS A 406 3.155 13.882 -26.350 1.00 0.00 C ATOM 253 C CYS A 406 2.714 12.605 -25.641 1.00 0.00 C ATOM 254 O CYS A 406 2.188 12.650 -24.529 1.00 0.00 O ATOM 255 CB CYS A 406 4.623 13.769 -26.765 1.00 0.00 C ATOM 256 SG CYS A 406 5.770 13.590 -25.379 1.00 0.00 S ATOM 0 H CYS A 406 3.814 15.415 -25.079 1.00 0.00 H new ATOM 0 HA CYS A 406 2.542 14.010 -27.242 1.00 0.00 H new ATOM 0 HB2 CYS A 406 4.737 12.913 -27.430 1.00 0.00 H new ATOM 0 HB3 CYS A 406 4.897 14.655 -27.337 1.00 0.00 H new ATOM 0 HG CYS A 406 6.986 13.500 -25.831 1.00 0.00 H new ATOM 262 N ASP A 407 2.934 11.467 -26.290 1.00 0.00 N ATOM 263 CA ASP A 407 2.560 10.177 -25.721 1.00 0.00 C ATOM 264 C ASP A 407 3.567 9.736 -24.663 1.00 0.00 C ATOM 265 O ASP A 407 4.748 9.544 -24.956 1.00 0.00 O ATOM 266 CB ASP A 407 2.462 9.120 -26.824 1.00 0.00 C ATOM 267 CG ASP A 407 1.155 8.352 -26.773 1.00 0.00 C ATOM 268 OD1 ASP A 407 0.902 7.678 -25.752 1.00 0.00 O ATOM 269 OD2 ASP A 407 0.385 8.425 -27.753 1.00 0.00 O ATOM 0 H ASP A 407 3.369 11.411 -27.211 1.00 0.00 H new ATOM 0 HA ASP A 407 1.586 10.286 -25.244 1.00 0.00 H new ATOM 0 HB2 ASP A 407 2.559 9.603 -27.796 1.00 0.00 H new ATOM 0 HB3 ASP A 407 3.294 8.422 -26.730 1.00 0.00 H new ATOM 274 N HIS A 408 3.092 9.580 -23.432 1.00 0.00 N ATOM 275 CA HIS A 408 3.950 9.162 -22.328 1.00 0.00 C ATOM 276 C HIS A 408 4.362 7.700 -22.481 1.00 0.00 C ATOM 277 O HIS A 408 5.423 7.292 -22.008 1.00 0.00 O ATOM 278 CB HIS A 408 3.235 9.370 -20.992 1.00 0.00 C ATOM 279 CG HIS A 408 4.058 10.104 -19.981 1.00 0.00 C ATOM 280 ND1 HIS A 408 3.617 11.236 -19.329 1.00 0.00 N ATOM 281 CD2 HIS A 408 5.305 9.862 -19.508 1.00 0.00 C ATOM 282 CE1 HIS A 408 4.555 11.660 -18.501 1.00 0.00 C ATOM 283 NE2 HIS A 408 5.588 10.844 -18.590 1.00 0.00 N ATOM 0 H HIS A 408 2.118 9.737 -23.173 1.00 0.00 H new ATOM 0 HA HIS A 408 4.851 9.776 -22.347 1.00 0.00 H new ATOM 0 HB2 HIS A 408 2.311 9.922 -21.166 1.00 0.00 H new ATOM 0 HB3 HIS A 408 2.955 8.399 -20.584 1.00 0.00 H new ATOM 0 HD2 HIS A 408 5.954 9.049 -19.798 1.00 0.00 H new ATOM 0 HE1 HIS A 408 4.488 12.527 -17.860 1.00 0.00 H new ATOM 0 HE2 HIS A 408 6.457 10.929 -18.062 1.00 0.00 H new ATOM 292 N THR A 409 3.516 6.915 -23.142 1.00 0.00 N ATOM 293 CA THR A 409 3.793 5.498 -23.356 1.00 0.00 C ATOM 294 C THR A 409 3.821 4.743 -22.031 1.00 0.00 C ATOM 295 O THR A 409 4.338 5.241 -21.031 1.00 0.00 O ATOM 296 CB THR A 409 5.124 5.319 -24.088 1.00 0.00 C ATOM 297 OG1 THR A 409 5.465 6.494 -24.802 1.00 0.00 O ATOM 298 CG2 THR A 409 5.115 4.170 -25.073 1.00 0.00 C ATOM 0 H THR A 409 2.633 7.236 -23.539 1.00 0.00 H new ATOM 0 HA THR A 409 2.992 5.087 -23.971 1.00 0.00 H new ATOM 0 HB THR A 409 5.856 5.103 -23.309 1.00 0.00 H new ATOM 0 HG1 THR A 409 6.320 6.361 -25.262 1.00 0.00 H new ATOM 0 HG21 THR A 409 6.089 4.098 -25.557 1.00 0.00 H new ATOM 0 HG22 THR A 409 4.903 3.240 -24.545 1.00 0.00 H new ATOM 0 HG23 THR A 409 4.347 4.343 -25.827 1.00 0.00 H new ATOM 306 N LEU A 410 3.261 3.538 -22.032 1.00 0.00 N ATOM 307 CA LEU A 410 3.220 2.711 -20.830 1.00 0.00 C ATOM 308 C LEU A 410 4.628 2.387 -20.339 1.00 0.00 C ATOM 309 O LEU A 410 4.838 2.133 -19.153 1.00 0.00 O ATOM 310 CB LEU A 410 2.452 1.418 -21.103 1.00 0.00 C ATOM 311 CG LEU A 410 2.119 0.588 -19.859 1.00 0.00 C ATOM 312 CD1 LEU A 410 0.613 0.480 -19.672 1.00 0.00 C ATOM 313 CD2 LEU A 410 2.745 -0.796 -19.954 1.00 0.00 C ATOM 0 H LEU A 410 2.829 3.112 -22.852 1.00 0.00 H new ATOM 0 HA LEU A 410 2.706 3.274 -20.051 1.00 0.00 H new ATOM 0 HB2 LEU A 410 1.522 1.666 -21.615 1.00 0.00 H new ATOM 0 HB3 LEU A 410 3.038 0.803 -21.786 1.00 0.00 H new ATOM 0 HG LEU A 410 2.537 1.095 -18.990 1.00 0.00 H new ATOM 0 HD11 LEU A 410 0.398 -0.113 -18.783 1.00 0.00 H new ATOM 0 HD12 LEU A 410 0.189 1.477 -19.554 1.00 0.00 H new ATOM 0 HD13 LEU A 410 0.172 -0.001 -20.545 1.00 0.00 H new ATOM 0 HD21 LEU A 410 2.497 -1.370 -19.061 1.00 0.00 H new ATOM 0 HD22 LEU A 410 2.359 -1.310 -20.834 1.00 0.00 H new ATOM 0 HD23 LEU A 410 3.828 -0.701 -20.035 1.00 0.00 H new ATOM 325 N GLU A 411 5.590 2.393 -21.257 1.00 0.00 N ATOM 326 CA GLU A 411 6.977 2.097 -20.915 1.00 0.00 C ATOM 327 C GLU A 411 7.486 3.042 -19.831 1.00 0.00 C ATOM 328 O GLU A 411 8.222 2.634 -18.933 1.00 0.00 O ATOM 329 CB GLU A 411 7.865 2.202 -22.156 1.00 0.00 C ATOM 330 CG GLU A 411 7.583 1.132 -23.198 1.00 0.00 C ATOM 331 CD GLU A 411 8.823 0.734 -23.974 1.00 0.00 C ATOM 332 OE1 GLU A 411 9.807 0.298 -23.340 1.00 0.00 O ATOM 333 OE2 GLU A 411 8.810 0.859 -25.217 1.00 0.00 O ATOM 0 H GLU A 411 5.434 2.600 -22.244 1.00 0.00 H new ATOM 0 HA GLU A 411 7.019 1.078 -20.532 1.00 0.00 H new ATOM 0 HB2 GLU A 411 7.727 3.184 -22.609 1.00 0.00 H new ATOM 0 HB3 GLU A 411 8.910 2.135 -21.852 1.00 0.00 H new ATOM 0 HG2 GLU A 411 7.168 0.252 -22.707 1.00 0.00 H new ATOM 0 HG3 GLU A 411 6.826 1.496 -23.892 1.00 0.00 H new ATOM 340 N GLN A 412 7.088 4.307 -19.921 1.00 0.00 N ATOM 341 CA GLN A 412 7.503 5.310 -18.948 1.00 0.00 C ATOM 342 C GLN A 412 6.805 5.094 -17.609 1.00 0.00 C ATOM 343 O GLN A 412 7.356 5.405 -16.553 1.00 0.00 O ATOM 344 CB GLN A 412 7.202 6.715 -19.472 1.00 0.00 C ATOM 345 CG GLN A 412 8.245 7.748 -19.078 1.00 0.00 C ATOM 346 CD GLN A 412 8.300 7.977 -17.580 1.00 0.00 C ATOM 347 OE1 GLN A 412 7.340 8.456 -16.977 1.00 0.00 O ATOM 348 NE2 GLN A 412 9.429 7.635 -16.972 1.00 0.00 N ATOM 0 H GLN A 412 6.479 4.661 -20.658 1.00 0.00 H new ATOM 0 HA GLN A 412 8.578 5.208 -18.797 1.00 0.00 H new ATOM 0 HB2 GLN A 412 7.130 6.680 -20.559 1.00 0.00 H new ATOM 0 HB3 GLN A 412 6.229 7.033 -19.098 1.00 0.00 H new ATOM 0 HG2 GLN A 412 9.224 7.422 -19.429 1.00 0.00 H new ATOM 0 HG3 GLN A 412 8.025 8.691 -19.578 1.00 0.00 H new ATOM 0 HE21 GLN A 412 10.200 7.241 -17.512 1.00 0.00 H new ATOM 0 HE22 GLN A 412 9.526 7.766 -15.965 1.00 0.00 H new ATOM 357 N GLN A 413 5.588 4.561 -17.660 1.00 0.00 N ATOM 358 CA GLN A 413 4.814 4.305 -16.451 1.00 0.00 C ATOM 359 C GLN A 413 5.350 3.088 -15.705 1.00 0.00 C ATOM 360 O GLN A 413 5.519 3.119 -14.487 1.00 0.00 O ATOM 361 CB GLN A 413 3.340 4.096 -16.801 1.00 0.00 C ATOM 362 CG GLN A 413 2.656 5.348 -17.323 1.00 0.00 C ATOM 363 CD GLN A 413 1.225 5.095 -17.754 1.00 0.00 C ATOM 364 OE1 GLN A 413 0.713 3.983 -17.626 1.00 0.00 O ATOM 365 NE2 GLN A 413 0.571 6.128 -18.272 1.00 0.00 N ATOM 0 H GLN A 413 5.117 4.298 -18.526 1.00 0.00 H new ATOM 0 HA GLN A 413 4.907 5.174 -15.800 1.00 0.00 H new ATOM 0 HB2 GLN A 413 3.261 3.309 -17.551 1.00 0.00 H new ATOM 0 HB3 GLN A 413 2.811 3.745 -15.915 1.00 0.00 H new ATOM 0 HG2 GLN A 413 2.668 6.114 -16.548 1.00 0.00 H new ATOM 0 HG3 GLN A 413 3.222 5.741 -18.168 1.00 0.00 H new ATOM 0 HE21 GLN A 413 1.034 7.033 -18.360 1.00 0.00 H new ATOM 0 HE22 GLN A 413 -0.394 6.017 -18.582 1.00 0.00 H new ATOM 374 N GLN A 414 5.614 2.014 -16.444 1.00 0.00 N ATOM 375 CA GLN A 414 6.130 0.786 -15.851 1.00 0.00 C ATOM 376 C GLN A 414 7.443 1.042 -15.119 1.00 0.00 C ATOM 377 O GLN A 414 8.399 1.558 -15.699 1.00 0.00 O ATOM 378 CB GLN A 414 6.334 -0.280 -16.930 1.00 0.00 C ATOM 379 CG GLN A 414 7.203 0.185 -18.087 1.00 0.00 C ATOM 380 CD GLN A 414 7.447 -0.909 -19.108 1.00 0.00 C ATOM 381 OE1 GLN A 414 6.438 -1.193 -19.924 1.00 0.00 O flip ATOM 382 NE2 GLN A 414 8.530 -1.492 -19.163 1.00 0.00 N flip ATOM 0 H GLN A 414 5.479 1.970 -17.454 1.00 0.00 H new ATOM 0 HA GLN A 414 5.397 0.427 -15.128 1.00 0.00 H new ATOM 0 HB2 GLN A 414 6.788 -1.162 -16.477 1.00 0.00 H new ATOM 0 HB3 GLN A 414 5.361 -0.585 -17.316 1.00 0.00 H new ATOM 0 HG2 GLN A 414 6.726 1.034 -18.577 1.00 0.00 H new ATOM 0 HG3 GLN A 414 8.160 0.536 -17.700 1.00 0.00 H new ATOM 0 HE21 GLN A 414 9.278 -1.241 -18.516 1.00 0.00 H new ATOM 0 HE22 GLN A 414 8.680 -2.226 -19.856 1.00 0.00 H new ATOM 391 N MET A 415 7.482 0.680 -13.842 1.00 0.00 N ATOM 392 CA MET A 415 8.677 0.871 -13.029 1.00 0.00 C ATOM 393 C MET A 415 8.659 -0.050 -11.813 1.00 0.00 C ATOM 394 O MET A 415 7.828 -0.953 -11.718 1.00 0.00 O ATOM 395 CB MET A 415 8.786 2.330 -12.579 1.00 0.00 C ATOM 396 CG MET A 415 10.197 2.887 -12.659 1.00 0.00 C ATOM 397 SD MET A 415 10.506 4.177 -11.437 1.00 0.00 S ATOM 398 CE MET A 415 11.615 5.247 -12.348 1.00 0.00 C ATOM 0 H MET A 415 6.699 0.252 -13.347 1.00 0.00 H new ATOM 0 HA MET A 415 9.546 0.621 -13.638 1.00 0.00 H new ATOM 0 HB2 MET A 415 8.127 2.942 -13.195 1.00 0.00 H new ATOM 0 HB3 MET A 415 8.429 2.412 -11.552 1.00 0.00 H new ATOM 0 HG2 MET A 415 10.912 2.077 -12.515 1.00 0.00 H new ATOM 0 HG3 MET A 415 10.368 3.289 -13.657 1.00 0.00 H new ATOM 0 HE1 MET A 415 11.897 6.095 -11.724 1.00 0.00 H new ATOM 0 HE2 MET A 415 12.509 4.690 -12.629 1.00 0.00 H new ATOM 0 HE3 MET A 415 11.115 5.609 -13.247 1.00 0.00 H new ATOM 408 N GLN A 416 9.582 0.184 -10.885 1.00 0.00 N ATOM 409 CA GLN A 416 9.670 -0.626 -9.676 1.00 0.00 C ATOM 410 C GLN A 416 10.213 0.193 -8.506 1.00 0.00 C ATOM 411 O GLN A 416 11.374 0.051 -8.123 1.00 0.00 O ATOM 412 CB GLN A 416 10.558 -1.849 -9.923 1.00 0.00 C ATOM 413 CG GLN A 416 9.805 -3.169 -9.862 1.00 0.00 C ATOM 414 CD GLN A 416 10.106 -4.068 -11.046 1.00 0.00 C ATOM 415 OE1 GLN A 416 9.209 -4.704 -11.601 1.00 0.00 O ATOM 416 NE2 GLN A 416 11.372 -4.125 -11.439 1.00 0.00 N ATOM 0 H GLN A 416 10.278 0.927 -10.947 1.00 0.00 H new ATOM 0 HA GLN A 416 8.666 -0.962 -9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 416 11.030 -1.754 -10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 416 11.358 -1.862 -9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 416 10.065 -3.689 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 416 8.734 -2.971 -9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 416 12.083 -3.581 -10.950 1.00 0.00 H new ATOM 0 HE22 GLN A 416 11.634 -4.713 -12.230 1.00 0.00 H new ATOM 425 N PRO A 417 9.375 1.065 -7.920 1.00 0.00 N ATOM 426 CA PRO A 417 9.775 1.905 -6.789 1.00 0.00 C ATOM 427 C PRO A 417 9.908 1.105 -5.498 1.00 0.00 C ATOM 428 O PRO A 417 9.138 0.176 -5.250 1.00 0.00 O ATOM 429 CB PRO A 417 8.633 2.915 -6.678 1.00 0.00 C ATOM 430 CG PRO A 417 7.447 2.204 -7.230 1.00 0.00 C ATOM 431 CD PRO A 417 7.971 1.298 -8.312 1.00 0.00 C ATOM 0 HA PRO A 417 10.752 2.363 -6.943 1.00 0.00 H new ATOM 0 HB2 PRO A 417 8.469 3.215 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 417 8.850 3.822 -7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 417 6.940 1.631 -6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 417 6.721 2.911 -7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 417 7.409 0.366 -8.361 1.00 0.00 H new ATOM 0 HD3 PRO A 417 7.901 1.765 -9.294 1.00 0.00 H new ATOM 439 N LEU A 418 10.893 1.464 -4.682 1.00 0.00 N ATOM 440 CA LEU A 418 11.129 0.773 -3.421 1.00 0.00 C ATOM 441 C LEU A 418 10.130 1.205 -2.348 1.00 0.00 C ATOM 442 O LEU A 418 10.108 0.646 -1.254 1.00 0.00 O ATOM 443 CB LEU A 418 12.556 1.042 -2.943 1.00 0.00 C ATOM 444 CG LEU A 418 13.660 0.312 -3.718 1.00 0.00 C ATOM 445 CD1 LEU A 418 13.970 -1.026 -3.064 1.00 0.00 C ATOM 446 CD2 LEU A 418 13.272 0.113 -5.178 1.00 0.00 C ATOM 0 H LEU A 418 11.540 2.229 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 418 10.994 -0.295 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.744 2.114 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 418 12.628 0.762 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 418 14.556 0.933 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 418 14.755 -1.532 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 418 14.305 -0.861 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 418 13.072 -1.644 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 418 14.075 -0.407 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 418 12.359 -0.480 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 418 13.104 1.083 -5.645 1.00 0.00 H new ATOM 458 N CYS A 419 9.303 2.197 -2.665 1.00 0.00 N ATOM 459 CA CYS A 419 8.307 2.685 -1.720 1.00 0.00 C ATOM 460 C CYS A 419 6.931 2.755 -2.374 1.00 0.00 C ATOM 461 O CYS A 419 6.818 2.820 -3.598 1.00 0.00 O ATOM 462 CB CYS A 419 8.704 4.063 -1.188 1.00 0.00 C ATOM 463 SG CYS A 419 9.279 5.211 -2.462 1.00 0.00 S ATOM 0 H CYS A 419 9.303 2.676 -3.565 1.00 0.00 H new ATOM 0 HA CYS A 419 8.260 1.985 -0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 419 7.848 4.504 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.491 3.940 -0.444 1.00 0.00 H new ATOM 0 HG CYS A 419 9.589 6.348 -1.914 1.00 0.00 H new ATOM 469 N PHE A 420 5.889 2.737 -1.550 1.00 0.00 N ATOM 470 CA PHE A 420 4.521 2.795 -2.050 1.00 0.00 C ATOM 471 C PHE A 420 3.735 3.905 -1.360 1.00 0.00 C ATOM 472 O PHE A 420 4.028 4.271 -0.222 1.00 0.00 O ATOM 473 CB PHE A 420 3.823 1.451 -1.836 1.00 0.00 C ATOM 474 CG PHE A 420 4.517 0.298 -2.503 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.468 0.145 -3.878 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.219 -0.633 -1.753 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.105 -0.916 -4.495 1.00 0.00 C ATOM 478 CE2 PHE A 420 5.859 -1.696 -2.365 1.00 0.00 C ATOM 479 CZ PHE A 420 5.801 -1.837 -3.738 1.00 0.00 C ATOM 0 H PHE A 420 5.966 2.683 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 420 4.559 3.013 -3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.755 1.253 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.803 1.517 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 420 3.926 0.863 -4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.267 -0.527 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 420 5.058 -1.024 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.403 -2.415 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.299 -2.666 -4.218 1.00 0.00 H new ATOM 489 N ASN A 421 2.736 4.435 -2.056 1.00 0.00 N ATOM 490 CA ASN A 421 1.906 5.502 -1.510 1.00 0.00 C ATOM 491 C ASN A 421 0.439 5.296 -1.882 1.00 0.00 C ATOM 492 O ASN A 421 0.079 5.318 -3.059 1.00 0.00 O ATOM 493 CB ASN A 421 2.388 6.863 -2.020 1.00 0.00 C ATOM 494 CG ASN A 421 2.499 7.889 -0.909 1.00 0.00 C ATOM 495 OD1 ASN A 421 3.448 8.672 -0.862 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.524 7.891 -0.005 1.00 0.00 N ATOM 0 H ASN A 421 2.481 4.143 -3.000 1.00 0.00 H new ATOM 0 HA ASN A 421 1.993 5.477 -0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.359 6.745 -2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 421 1.698 7.228 -2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.544 8.559 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 421 0.756 7.224 -0.082 1.00 0.00 H new ATOM 503 N CYS A 422 -0.401 5.096 -0.872 1.00 0.00 N ATOM 504 CA CYS A 422 -1.826 4.886 -1.097 1.00 0.00 C ATOM 505 C CYS A 422 -2.553 6.220 -1.270 1.00 0.00 C ATOM 506 O CYS A 422 -2.658 6.998 -0.326 1.00 0.00 O ATOM 507 CB CYS A 422 -2.439 4.115 0.076 1.00 0.00 C ATOM 508 SG CYS A 422 -4.194 3.726 -0.131 1.00 0.00 S ATOM 0 H CYS A 422 -0.120 5.075 0.108 1.00 0.00 H new ATOM 0 HA CYS A 422 -1.941 4.304 -2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.886 3.186 0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.313 4.700 0.987 1.00 0.00 H new ATOM 513 N PRO A 423 -3.071 6.504 -2.480 1.00 0.00 N ATOM 514 CA PRO A 423 -3.792 7.749 -2.755 1.00 0.00 C ATOM 515 C PRO A 423 -5.191 7.755 -2.146 1.00 0.00 C ATOM 516 O PRO A 423 -5.903 8.757 -2.213 1.00 0.00 O ATOM 517 CB PRO A 423 -3.879 7.798 -4.290 1.00 0.00 C ATOM 518 CG PRO A 423 -3.057 6.653 -4.789 1.00 0.00 C ATOM 519 CD PRO A 423 -3.004 5.652 -3.671 1.00 0.00 C ATOM 0 HA PRO A 423 -3.283 8.610 -2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.913 7.711 -4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.499 8.746 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.503 6.215 -5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -2.055 6.984 -5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.836 4.950 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.088 5.062 -3.697 1.00 0.00 H new ATOM 527 N ILE A 424 -5.581 6.630 -1.556 1.00 0.00 N ATOM 528 CA ILE A 424 -6.894 6.504 -0.942 1.00 0.00 C ATOM 529 C ILE A 424 -6.837 6.795 0.556 1.00 0.00 C ATOM 530 O ILE A 424 -7.816 7.254 1.145 1.00 0.00 O ATOM 531 CB ILE A 424 -7.469 5.091 -1.166 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.716 4.849 -2.657 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.752 4.901 -0.373 1.00 0.00 C ATOM 534 CD1 ILE A 424 -7.692 3.386 -3.044 1.00 0.00 C ATOM 0 H ILE A 424 -5.004 5.792 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.545 7.238 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.741 4.361 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.682 5.273 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -6.960 5.381 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.141 3.897 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.546 5.033 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.490 5.636 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -7.874 3.290 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -6.718 2.962 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -8.467 2.852 -2.495 1.00 0.00 H new ATOM 546 N CYS A 425 -5.694 6.512 1.171 1.00 0.00 N ATOM 547 CA CYS A 425 -5.524 6.731 2.603 1.00 0.00 C ATOM 548 C CYS A 425 -4.326 7.634 2.904 1.00 0.00 C ATOM 549 O CYS A 425 -4.148 8.080 4.037 1.00 0.00 O ATOM 550 CB CYS A 425 -5.363 5.390 3.316 1.00 0.00 C ATOM 551 SG CYS A 425 -6.691 4.221 2.962 1.00 0.00 S ATOM 0 H CYS A 425 -4.873 6.131 0.701 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.416 7.237 2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.411 4.945 3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.319 5.563 4.391 1.00 0.00 H new ATOM 556 N ASP A 426 -3.506 7.901 1.889 1.00 0.00 N ATOM 557 CA ASP A 426 -2.331 8.749 2.058 1.00 0.00 C ATOM 558 C ASP A 426 -1.322 8.097 3.000 1.00 0.00 C ATOM 559 O ASP A 426 -0.746 8.756 3.865 1.00 0.00 O ATOM 560 CB ASP A 426 -2.740 10.127 2.590 1.00 0.00 C ATOM 561 CG ASP A 426 -2.752 11.184 1.503 1.00 0.00 C ATOM 562 OD1 ASP A 426 -1.907 11.104 0.587 1.00 0.00 O ATOM 563 OD2 ASP A 426 -3.605 12.094 1.570 1.00 0.00 O ATOM 0 H ASP A 426 -3.635 7.542 0.943 1.00 0.00 H new ATOM 0 HA ASP A 426 -1.859 8.875 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.731 10.061 3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.051 10.428 3.379 1.00 0.00 H new ATOM 568 N LYS A 427 -1.113 6.796 2.824 1.00 0.00 N ATOM 569 CA LYS A 427 -0.174 6.053 3.657 1.00 0.00 C ATOM 570 C LYS A 427 0.999 5.536 2.829 1.00 0.00 C ATOM 571 O LYS A 427 0.842 5.194 1.658 1.00 0.00 O ATOM 572 CB LYS A 427 -0.882 4.884 4.342 1.00 0.00 C ATOM 573 CG LYS A 427 -0.029 4.182 5.385 1.00 0.00 C ATOM 574 CD LYS A 427 -0.426 4.584 6.796 1.00 0.00 C ATOM 575 CE LYS A 427 0.135 3.621 7.829 1.00 0.00 C ATOM 576 NZ LYS A 427 1.469 4.056 8.327 1.00 0.00 N ATOM 0 H LYS A 427 -1.581 6.235 2.112 1.00 0.00 H new ATOM 0 HA LYS A 427 0.212 6.732 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -1.793 5.249 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -1.185 4.160 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -0.130 3.103 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 427 1.021 4.423 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -0.066 5.592 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -1.513 4.612 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -0.558 3.544 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 427 0.218 2.626 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 1.817 3.373 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 2.137 4.106 7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 1.386 4.994 8.768 1.00 0.00 H new ATOM 590 N ILE A 428 2.172 5.481 3.449 1.00 0.00 N ATOM 591 CA ILE A 428 3.372 5.002 2.773 1.00 0.00 C ATOM 592 C ILE A 428 3.717 3.584 3.215 1.00 0.00 C ATOM 593 O ILE A 428 3.589 3.243 4.392 1.00 0.00 O ATOM 594 CB ILE A 428 4.577 5.924 3.046 1.00 0.00 C ATOM 595 CG1 ILE A 428 4.204 7.383 2.773 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.770 5.509 2.196 1.00 0.00 C ATOM 597 CD1 ILE A 428 4.628 8.332 3.873 1.00 0.00 C ATOM 0 H ILE A 428 2.318 5.762 4.419 1.00 0.00 H new ATOM 0 HA ILE A 428 3.159 5.006 1.704 1.00 0.00 H new ATOM 0 HB ILE A 428 4.855 5.829 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 428 4.663 7.698 1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.125 7.454 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.611 6.171 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 428 6.048 4.483 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.506 5.576 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 428 4.331 9.348 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 428 4.148 8.043 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 428 5.711 8.290 3.993 1.00 0.00 H new ATOM 609 N PHE A 429 4.151 2.759 2.268 1.00 0.00 N ATOM 610 CA PHE A 429 4.506 1.376 2.567 1.00 0.00 C ATOM 611 C PHE A 429 5.858 1.006 1.950 1.00 0.00 C ATOM 612 O PHE A 429 6.007 0.997 0.729 1.00 0.00 O ATOM 613 CB PHE A 429 3.423 0.428 2.045 1.00 0.00 C ATOM 614 CG PHE A 429 2.075 0.652 2.670 1.00 0.00 C ATOM 615 CD1 PHE A 429 1.822 0.238 3.967 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.061 1.277 1.960 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.584 0.440 4.545 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.179 1.481 2.532 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.418 1.063 3.826 1.00 0.00 C ATOM 0 H PHE A 429 4.265 3.023 1.289 1.00 0.00 H new ATOM 0 HA PHE A 429 4.584 1.276 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.338 0.547 0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 429 3.733 -0.601 2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.602 -0.249 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.243 1.608 0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.399 0.112 5.557 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.961 1.967 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.387 1.223 4.276 1.00 0.00 H new ATOM 629 N PRO A 430 6.863 0.689 2.790 1.00 0.00 N ATOM 630 CA PRO A 430 8.200 0.309 2.315 1.00 0.00 C ATOM 631 C PRO A 430 8.151 -0.861 1.336 1.00 0.00 C ATOM 632 O PRO A 430 7.190 -1.629 1.324 1.00 0.00 O ATOM 633 CB PRO A 430 8.939 -0.093 3.594 1.00 0.00 C ATOM 634 CG PRO A 430 8.215 0.609 4.690 1.00 0.00 C ATOM 635 CD PRO A 430 6.777 0.668 4.262 1.00 0.00 C ATOM 0 HA PRO A 430 8.684 1.120 1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.922 -1.173 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.986 0.207 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 430 8.320 0.073 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.618 1.610 4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 430 6.215 -0.194 4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.278 1.557 4.649 1.00 0.00 H new ATOM 643 N ALA A 431 9.190 -0.991 0.514 1.00 0.00 N ATOM 644 CA ALA A 431 9.255 -2.068 -0.470 1.00 0.00 C ATOM 645 C ALA A 431 9.053 -3.429 0.189 1.00 0.00 C ATOM 646 O ALA A 431 8.476 -4.338 -0.407 1.00 0.00 O ATOM 647 CB ALA A 431 10.586 -2.031 -1.207 1.00 0.00 C ATOM 0 H ALA A 431 9.996 -0.366 0.510 1.00 0.00 H new ATOM 0 HA ALA A 431 8.449 -1.917 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.620 -2.840 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 431 10.692 -1.075 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.401 -2.152 -0.493 1.00 0.00 H new ATOM 653 N THR A 432 9.519 -3.558 1.427 1.00 0.00 N ATOM 654 CA THR A 432 9.373 -4.806 2.168 1.00 0.00 C ATOM 655 C THR A 432 7.932 -4.987 2.627 1.00 0.00 C ATOM 656 O THR A 432 7.488 -6.106 2.886 1.00 0.00 O ATOM 657 CB THR A 432 10.315 -4.824 3.374 1.00 0.00 C ATOM 658 OG1 THR A 432 10.286 -3.581 4.052 1.00 0.00 O ATOM 659 CG2 THR A 432 11.754 -5.113 3.006 1.00 0.00 C ATOM 0 H THR A 432 9.999 -2.817 1.937 1.00 0.00 H new ATOM 0 HA THR A 432 9.635 -5.631 1.506 1.00 0.00 H new ATOM 0 HB THR A 432 9.952 -5.630 4.011 1.00 0.00 H new ATOM 0 HG1 THR A 432 10.893 -3.613 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 432 12.367 -5.111 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 432 11.818 -6.089 2.526 1.00 0.00 H new ATOM 0 HG23 THR A 432 12.115 -4.347 2.320 1.00 0.00 H new ATOM 667 N GLU A 433 7.202 -3.878 2.716 1.00 0.00 N ATOM 668 CA GLU A 433 5.808 -3.914 3.131 1.00 0.00 C ATOM 669 C GLU A 433 4.881 -4.031 1.924 1.00 0.00 C ATOM 670 O GLU A 433 3.678 -3.790 2.030 1.00 0.00 O ATOM 671 CB GLU A 433 5.461 -2.662 3.937 1.00 0.00 C ATOM 672 CG GLU A 433 5.895 -2.733 5.392 1.00 0.00 C ATOM 673 CD GLU A 433 7.367 -3.065 5.545 1.00 0.00 C ATOM 674 OE1 GLU A 433 7.747 -4.222 5.268 1.00 0.00 O ATOM 675 OE2 GLU A 433 8.140 -2.166 5.941 1.00 0.00 O ATOM 0 H GLU A 433 7.555 -2.945 2.506 1.00 0.00 H new ATOM 0 HA GLU A 433 5.666 -4.793 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 433 5.931 -1.797 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.384 -2.501 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 433 5.689 -1.778 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 433 5.301 -3.487 5.908 1.00 0.00 H new ATOM 682 N LYS A 434 5.444 -4.405 0.774 1.00 0.00 N ATOM 683 CA LYS A 434 4.659 -4.555 -0.446 1.00 0.00 C ATOM 684 C LYS A 434 3.498 -5.512 -0.212 1.00 0.00 C ATOM 685 O LYS A 434 2.404 -5.322 -0.745 1.00 0.00 O ATOM 686 CB LYS A 434 5.540 -5.070 -1.586 1.00 0.00 C ATOM 687 CG LYS A 434 4.819 -5.148 -2.922 1.00 0.00 C ATOM 688 CD LYS A 434 5.521 -6.099 -3.878 1.00 0.00 C ATOM 689 CE LYS A 434 6.922 -5.616 -4.215 1.00 0.00 C ATOM 690 NZ LYS A 434 7.293 -5.927 -5.623 1.00 0.00 N ATOM 0 H LYS A 434 6.438 -4.608 0.665 1.00 0.00 H new ATOM 0 HA LYS A 434 4.261 -3.579 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.407 -4.417 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 434 5.915 -6.060 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 434 3.793 -5.480 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.767 -4.155 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 434 5.575 -7.092 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 434 4.937 -6.193 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 434 6.984 -4.540 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 434 7.639 -6.082 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 8.255 -5.581 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 7.259 -6.956 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 6.624 -5.461 -6.269 1.00 0.00 H new ATOM 704 N GLN A 435 3.742 -6.535 0.600 1.00 0.00 N ATOM 705 CA GLN A 435 2.713 -7.515 0.920 1.00 0.00 C ATOM 706 C GLN A 435 1.577 -6.842 1.681 1.00 0.00 C ATOM 707 O GLN A 435 0.402 -6.981 1.327 1.00 0.00 O ATOM 708 CB GLN A 435 3.305 -8.657 1.754 1.00 0.00 C ATOM 709 CG GLN A 435 4.725 -9.036 1.358 1.00 0.00 C ATOM 710 CD GLN A 435 5.060 -10.475 1.699 1.00 0.00 C ATOM 711 OE1 GLN A 435 4.722 -10.965 2.776 1.00 0.00 O ATOM 712 NE2 GLN A 435 5.730 -11.160 0.779 1.00 0.00 N ATOM 0 H GLN A 435 4.642 -6.706 1.048 1.00 0.00 H new ATOM 0 HA GLN A 435 2.322 -7.931 -0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.296 -8.369 2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.665 -9.534 1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 435 4.853 -8.881 0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.428 -8.374 1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 435 5.990 -10.714 -0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 435 5.984 -12.132 0.952 1.00 0.00 H new ATOM 721 N ILE A 436 1.940 -6.088 2.714 1.00 0.00 N ATOM 722 CA ILE A 436 0.961 -5.368 3.514 1.00 0.00 C ATOM 723 C ILE A 436 0.316 -4.269 2.682 1.00 0.00 C ATOM 724 O ILE A 436 -0.867 -3.966 2.840 1.00 0.00 O ATOM 725 CB ILE A 436 1.601 -4.742 4.768 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.405 -5.794 5.536 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.533 -4.130 5.660 1.00 0.00 C ATOM 728 CD1 ILE A 436 3.085 -5.250 6.774 1.00 0.00 C ATOM 0 H ILE A 436 2.906 -5.961 3.015 1.00 0.00 H new ATOM 0 HA ILE A 436 0.207 -6.087 3.835 1.00 0.00 H new ATOM 0 HB ILE A 436 2.280 -3.950 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 436 1.740 -6.608 5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.160 -6.218 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 436 1.002 -3.692 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 436 -0.000 -3.355 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 436 -0.170 -4.904 5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 436 3.636 -6.050 7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 436 3.775 -4.455 6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 436 2.334 -4.852 7.456 1.00 0.00 H new ATOM 740 N PHE A 437 1.105 -3.687 1.785 1.00 0.00 N ATOM 741 CA PHE A 437 0.615 -2.632 0.912 1.00 0.00 C ATOM 742 C PHE A 437 -0.442 -3.184 -0.035 1.00 0.00 C ATOM 743 O PHE A 437 -1.510 -2.597 -0.199 1.00 0.00 O ATOM 744 CB PHE A 437 1.767 -2.016 0.112 1.00 0.00 C ATOM 745 CG PHE A 437 1.310 -1.072 -0.962 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.338 -0.122 -0.695 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.846 -1.138 -2.238 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.091 0.745 -1.680 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.420 -0.273 -3.228 1.00 0.00 C ATOM 750 CZ PHE A 437 0.450 0.669 -2.947 1.00 0.00 C ATOM 0 H PHE A 437 2.086 -3.930 1.645 1.00 0.00 H new ATOM 0 HA PHE A 437 0.167 -1.854 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.430 -1.484 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.352 -2.816 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 437 -0.089 -0.059 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.605 -1.873 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.849 1.482 -1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.845 -0.334 -4.219 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.115 1.346 -3.719 1.00 0.00 H new ATOM 760 N GLU A 438 -0.142 -4.328 -0.648 1.00 0.00 N ATOM 761 CA GLU A 438 -1.074 -4.962 -1.570 1.00 0.00 C ATOM 762 C GLU A 438 -2.386 -5.260 -0.858 1.00 0.00 C ATOM 763 O GLU A 438 -3.466 -5.002 -1.388 1.00 0.00 O ATOM 764 CB GLU A 438 -0.475 -6.253 -2.134 1.00 0.00 C ATOM 765 CG GLU A 438 0.142 -6.084 -3.513 1.00 0.00 C ATOM 766 CD GLU A 438 -0.872 -6.248 -4.629 1.00 0.00 C ATOM 767 OE1 GLU A 438 -1.801 -5.417 -4.714 1.00 0.00 O ATOM 768 OE2 GLU A 438 -0.735 -7.205 -5.420 1.00 0.00 O ATOM 0 H GLU A 438 0.736 -4.831 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.265 -4.280 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.287 -6.621 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.254 -7.014 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 438 0.599 -5.097 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 438 0.940 -6.815 -3.642 1.00 0.00 H new ATOM 775 N ASP A 439 -2.282 -5.783 0.359 1.00 0.00 N ATOM 776 CA ASP A 439 -3.463 -6.088 1.154 1.00 0.00 C ATOM 777 C ASP A 439 -4.177 -4.797 1.542 1.00 0.00 C ATOM 778 O ASP A 439 -5.406 -4.740 1.586 1.00 0.00 O ATOM 779 CB ASP A 439 -3.075 -6.875 2.408 1.00 0.00 C ATOM 780 CG ASP A 439 -3.223 -8.372 2.219 1.00 0.00 C ATOM 781 OD1 ASP A 439 -2.729 -8.893 1.196 1.00 0.00 O ATOM 782 OD2 ASP A 439 -3.830 -9.025 3.093 1.00 0.00 O ATOM 0 H ASP A 439 -1.396 -6.003 0.814 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.138 -6.701 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.043 -6.645 2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -3.698 -6.553 3.243 1.00 0.00 H new ATOM 787 N HIS A 440 -3.389 -3.760 1.821 1.00 0.00 N ATOM 788 CA HIS A 440 -3.931 -2.462 2.204 1.00 0.00 C ATOM 789 C HIS A 440 -4.738 -1.850 1.063 1.00 0.00 C ATOM 790 O HIS A 440 -5.858 -1.381 1.267 1.00 0.00 O ATOM 791 CB HIS A 440 -2.797 -1.518 2.608 1.00 0.00 C ATOM 792 CG HIS A 440 -3.263 -0.149 3.001 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.839 0.146 4.216 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.223 1.019 2.311 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.124 1.455 4.227 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.768 2.029 3.096 1.00 0.00 N ATOM 0 H HIS A 440 -2.370 -3.796 1.788 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.597 -2.608 3.055 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.249 -1.958 3.441 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.097 -1.429 1.777 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -4.017 -0.514 4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.831 1.144 1.313 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.585 1.972 5.055 1.00 0.00 H new ATOM 804 N VAL A 441 -4.169 -1.862 -0.139 1.00 0.00 N ATOM 805 CA VAL A 441 -4.852 -1.310 -1.305 1.00 0.00 C ATOM 806 C VAL A 441 -6.068 -2.157 -1.659 1.00 0.00 C ATOM 807 O VAL A 441 -7.080 -1.645 -2.137 1.00 0.00 O ATOM 808 CB VAL A 441 -3.930 -1.218 -2.541 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.412 -0.123 -3.478 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.485 -0.968 -2.136 1.00 0.00 C ATOM 0 H VAL A 441 -3.243 -2.245 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.160 -0.300 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.971 -2.174 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.753 -0.069 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.427 -0.346 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.402 0.833 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.862 -0.908 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.419 -0.030 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.137 -1.786 -1.505 1.00 0.00 H new ATOM 820 N PHE A 442 -5.961 -3.461 -1.416 1.00 0.00 N ATOM 821 CA PHE A 442 -7.050 -4.386 -1.703 1.00 0.00 C ATOM 822 C PHE A 442 -8.268 -4.068 -0.844 1.00 0.00 C ATOM 823 O PHE A 442 -9.400 -4.075 -1.328 1.00 0.00 O ATOM 824 CB PHE A 442 -6.599 -5.828 -1.460 1.00 0.00 C ATOM 825 CG PHE A 442 -6.268 -6.573 -2.722 1.00 0.00 C ATOM 826 CD1 PHE A 442 -5.233 -6.149 -3.542 1.00 0.00 C ATOM 827 CD2 PHE A 442 -6.990 -7.697 -3.089 1.00 0.00 C ATOM 828 CE1 PHE A 442 -4.928 -6.832 -4.704 1.00 0.00 C ATOM 829 CE2 PHE A 442 -6.690 -8.384 -4.249 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.656 -7.951 -5.057 1.00 0.00 C ATOM 0 H PHE A 442 -5.129 -3.900 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.327 -4.273 -2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.723 -5.822 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.387 -6.362 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -4.659 -5.276 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -7.798 -8.040 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -4.121 -6.491 -5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -7.262 -9.258 -4.524 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.418 -8.487 -5.964 1.00 0.00 H new ATOM 840 N CYS A 443 -8.030 -3.782 0.434 1.00 0.00 N ATOM 841 CA CYS A 443 -9.112 -3.456 1.359 1.00 0.00 C ATOM 842 C CYS A 443 -9.952 -2.303 0.822 1.00 0.00 C ATOM 843 O CYS A 443 -11.151 -2.214 1.089 1.00 0.00 O ATOM 844 CB CYS A 443 -8.543 -3.086 2.731 1.00 0.00 C ATOM 845 SG CYS A 443 -9.708 -3.303 4.096 1.00 0.00 S ATOM 0 H CYS A 443 -7.100 -3.769 0.852 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.749 -4.335 1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.659 -3.694 2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.216 -2.046 2.708 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.135 -2.967 5.213 1.00 0.00 H new ATOM 851 N HIS A 444 -9.311 -1.424 0.062 1.00 0.00 N ATOM 852 CA HIS A 444 -9.988 -0.272 -0.520 1.00 0.00 C ATOM 853 C HIS A 444 -10.782 -0.672 -1.761 1.00 0.00 C ATOM 854 O HIS A 444 -11.735 0.005 -2.144 1.00 0.00 O ATOM 855 CB HIS A 444 -8.964 0.809 -0.869 1.00 0.00 C ATOM 856 CG HIS A 444 -7.960 1.036 0.217 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.258 0.970 1.559 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.634 1.316 0.142 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.132 1.208 2.243 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.117 1.422 1.430 1.00 0.00 N ATOM 0 H HIS A 444 -8.319 -1.488 -0.166 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.690 0.123 0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.444 0.527 -1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.486 1.743 -1.075 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.175 0.774 1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.070 1.437 -0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.064 1.223 3.321 1.00 0.00 H new ATOM 868 N SER A 445 -10.387 -1.780 -2.383 1.00 0.00 N ATOM 869 CA SER A 445 -11.067 -2.270 -3.577 1.00 0.00 C ATOM 870 C SER A 445 -12.144 -3.294 -3.218 1.00 0.00 C ATOM 871 O SER A 445 -13.008 -3.611 -4.037 1.00 0.00 O ATOM 872 CB SER A 445 -10.059 -2.890 -4.546 1.00 0.00 C ATOM 873 OG SER A 445 -10.356 -2.540 -5.886 1.00 0.00 O ATOM 0 H SER A 445 -9.600 -2.354 -2.080 1.00 0.00 H new ATOM 0 HA SER A 445 -11.550 -1.420 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 445 -9.053 -2.554 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 445 -10.068 -3.975 -4.440 1.00 0.00 H new ATOM 0 HG SER A 445 -9.696 -2.948 -6.485 1.00 0.00 H new ATOM 879 N LEU A 446 -12.093 -3.807 -1.990 1.00 0.00 N ATOM 880 CA LEU A 446 -13.069 -4.790 -1.530 1.00 0.00 C ATOM 881 C LEU A 446 -13.285 -4.677 -0.025 1.00 0.00 C ATOM 882 O LEU A 446 -12.304 -4.852 0.727 1.00 0.00 O ATOM 883 CB LEU A 446 -12.613 -6.207 -1.887 1.00 0.00 C ATOM 884 CG LEU A 446 -11.118 -6.475 -1.704 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.885 -7.902 -1.232 1.00 0.00 C ATOM 886 CD2 LEU A 446 -10.368 -6.214 -3.001 1.00 0.00 C ATOM 887 OXT LEU A 446 -14.434 -4.416 0.389 1.00 0.00 O ATOM 0 H LEU A 446 -11.387 -3.558 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 446 -14.014 -4.586 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -13.171 -6.916 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -12.877 -6.406 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.737 -5.795 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.816 -8.074 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -11.391 -8.057 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -11.281 -8.599 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -9.306 -6.410 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -10.752 -6.870 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -10.507 -5.175 -3.299 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.050 3.077 1.956 1.00 0.00 ZN